N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide

C14H22ClN3O3 — CID 61245206

IUPACN-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
SMILESNc1ccc(NC(=O)CCCN(CCO)CCO)c(Cl)c1
InChIInChI=1S/C14H22ClN3O3/c15-12-10-11(16)3-4-13(12)17-14(21)2-1-5-18(6-8-19)7-9-20/h3-4,10,19-20H,1-2,5-9,16H2,(H,17,21)
InChIKeyAHRHJHGJULKRSD-UHFFFAOYSA-N
MW315.80 g/mol
LogP0.93
Rot. Bonds9

About N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide

N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide (PubChem CID 61245206) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
PubChem CID61245206
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC NameN-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
SMILESNc1ccc(NC(=O)CCCN(CCO)CCO)c(Cl)c1
InChIInChI=1S/C14H22ClN3O3/c15-12-10-11(16)3-4-13(12)17-14(21)2-1-5-18(6-8-19)7-9-20/h3-4,10,19-20H,1-2,5-9,16H2,(H,17,21)
InChIKeyAHRHJHGJULKRSD-UHFFFAOYSA-N
XLogP0.93
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860273
N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617467
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112511
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide (CID 61245206) is N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide is Nc1ccc(NC(=O)CCCN(CCO)CCO)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide?
The InChIKey is AHRHJHGJULKRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O3/c15-12-10-11(16)3-4-13(12)17-14(21)2-1-5-18(6-8-19)7-9-20/h3-4,10,19-20H,1-2,5-9,16H2,(H,17,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide?
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide has a molecular weight of 315.80 g/mol, XLogP of 0.93, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide is sourced from PubChem (CID 61245206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).